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Information card for entry 7121818
Preview
| Coordinates | 7121818.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H58 Cl2 N4 O6 |
|---|---|
| Calculated formula | C44 H58 Cl2 N4 O6 |
| Title of publication | Anion-π interactions of highly π-acidic dipyridinium-naphthalene diimide salts. |
| Authors of publication | Tam, Teck Lip Dexter; Ng, Chee Koon; Lu, Xuefeng; Lim, Zheng Long; Wu, Jishan |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 53 |
| Pages of publication | 7374 - 7377 |
| a | 7.9255 ± 0.0005 Å |
| b | 9.259 ± 0.0006 Å |
| c | 15.1784 ± 0.0009 Å |
| α | 96.993 ± 0.002° |
| β | 98.728 ± 0.002° |
| γ | 98.758 ± 0.002° |
| Cell volume | 1076.06 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0645 |
| Residual factor for significantly intense reflections | 0.063 |
| Weighted residual factors for significantly intense reflections | 0.171 |
| Weighted residual factors for all reflections included in the refinement | 0.1726 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121818.cif |
| 228088 | 2019-11-17 | cif/ Updating files of 7121817, 7121818, 7121819, 7121820 Original log message: Adding full bibliography for 7121817--7121820.cif. |
7121818.cif |
| 208261 | 2018-06-11 | cif/ Adding structures of 7121817, 7121818, 7121819, 7121820 via cif-deposit CGI script. |
7121818.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.